| [2082637] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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 | 4 |  * Copyright (C)  2016 Frederik Heber. All rights reserved.
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 | 5 |  * 
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 | 6 |  *
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 | 7 |  *   This file is part of MoleCuilder.
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 | 8 |  *
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 | 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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 | 10 |  *    it under the terms of the GNU General Public License as published by
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 | 11 |  *    the Free Software Foundation, either version 2 of the License, or
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 | 12 |  *    (at your option) any later version.
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 | 13 |  *
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 | 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
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 | 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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 | 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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 | 17 |  *    GNU General Public License for more details.
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 | 18 |  *
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 | 19 |  *    You should have received a copy of the GNU General Public License
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 | 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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 | 21 |  */
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 | 22 | 
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 | 23 | /*
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 | 24 |  * SaveParticleParametersAction.cpp
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 | 25 |  *
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 | 26 |  *  Created on: Feb 27, 2016
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 | 27 |  *      Author: heber
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 | 28 |  */
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 | 29 | 
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 | 30 | // include config.h
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 | 31 | #ifdef HAVE_CONFIG_H
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 | 32 | #include <config.h>
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 | 33 | #endif
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 | 34 | 
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 | 35 | // include headers that implement a archive in simple text format
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 | 36 | // and before MemDebug due to placement new
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 | 37 | #include <boost/archive/text_oarchive.hpp>
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 | 38 | #include <boost/archive/text_iarchive.hpp>
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 | 39 | 
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| [9eb71b3] | 40 | //#include "CodePatterns/MemDebug.hpp"
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| [2082637] | 41 | 
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 | 42 | #include "Actions/PotentialAction/SaveParticleParametersAction.hpp"
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 | 43 | 
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 | 44 | #include <boost/filesystem.hpp>
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 | 45 | #include <fstream>
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 | 46 | 
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 | 47 | #include "CodePatterns/Log.hpp"
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 | 48 | 
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 | 49 | #include "Potentials/Exceptions.hpp"
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 | 50 | #include "Potentials/Particles/ParticleRegistry.hpp"
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 | 51 | #include "Potentials/RegistrySerializer.hpp"
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 | 52 | 
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 | 53 | using namespace MoleCuilder;
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 | 54 | 
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 | 55 | // and construct the stuff
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 | 56 | #include "SaveParticleParametersAction.def"
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 | 57 | #include "Action_impl_pre.hpp"
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 | 58 | /** =========== define the function ====================== */
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 | 59 | 
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 | 60 | ActionState::ptr PotentialSaveParticleParametersAction::performCall()
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 | 61 | {
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 | 62 |   // store the particles
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 | 63 |   if (!params.particle_file.get().string().empty()) {
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 | 64 |     // print fitted particles
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 | 65 |     std::stringstream particles;
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 | 66 |     try {
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 | 67 |       RegistrySerializer<Particle> serialize(
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 | 68 |           particles,
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 | 69 |           ParticleRegistry::getInstance(),
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 | 70 |           std::string("particle"));
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 | 71 |       serialize();
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 | 72 |     } catch (SerializerStreamException &e) {
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 | 73 |       STATUS("Error parsing stream, ended too early?");
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 | 74 |     }
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 | 75 |     LOG(1, "STATUS: Resulting parameters are " << std::endl << particles.str());
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 | 76 |     std::ofstream returnstream(params.particle_file.get().string().c_str());
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 | 77 |     if (returnstream.good()) {
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 | 78 |       returnstream << particles.str();
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 | 79 |     } else {
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 | 80 |       STATUS("Could not open stream to write particles!");
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 | 81 |       return Action::failure;
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 | 82 |     }
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 | 83 |   } else {
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 | 84 |     STATUS("No existing potential file given!");
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 | 85 |     return Action::failure;
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 | 86 |   }
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 | 87 | 
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 | 88 |   return Action::success;
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 | 89 | }
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 | 90 | 
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 | 91 | ActionState::ptr PotentialSaveParticleParametersAction::performUndo(ActionState::ptr _state) {
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 | 92 |   STATUS("Undo of PotentialSaveParticleParametersAction not implemented.");
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 | 93 |   return Action::failure;
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 | 94 | }
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 | 95 | 
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 | 96 | ActionState::ptr PotentialSaveParticleParametersAction::performRedo(ActionState::ptr _state){
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 | 97 |   STATUS("Redo of PotentialSaveParticleParametersAction not implemented.");
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 | 98 |   return Action::failure;
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 | 99 | }
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 | 100 | 
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 | 101 | bool PotentialSaveParticleParametersAction::canUndo() {
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 | 102 |   return false;
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 | 103 | }
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 | 104 | 
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 | 105 | bool PotentialSaveParticleParametersAction::shouldUndo() {
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 | 106 |   return false;
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 | 107 | }
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 | 108 | /** =========== end of function ====================== */
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